6qwi - Revision history

OCA at 12:09, 24 January 2024

2024-01-24T12:09:57Z

←Older revision		Revision as of 12:09, 24 January 2024
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	<StructureSection load='6qwi' size='340' side='right'caption='[[6qwi]], [[Resolution\|resolution]] 2.85Å' scene=''>		<StructureSection load='6qwi' size='340' side='right'caption='[[6qwi]], [[Resolution\|resolution]] 2.85Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6qwi]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QWI OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6QWI FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6qwi]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Paenibacillus_polymyxa Paenibacillus polymyxa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QWI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6QWI FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=JJW:(2~{S},3~{S},4~{R})-2-[[4-[4-(2-ethoxyethoxy)phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol'>JJW</scene~~></td></tr>~~	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 2.85Å</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-glucosidase Beta-glucosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.21 3.2.1.21] </span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=JJW:(2~{S},3~{S},4~{R})-2-[[4-[4-(2-ethoxyethoxy)phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol'>JJW</scene></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6qwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qwi OCA], [~~http~~://pdbe.org/6qwi PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6qwi RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6qwi PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6qwi ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6qwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qwi OCA], [https://pdbe.org/6qwi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6qwi RCSB], [https://www.ebi.ac.uk/pdbsum/6qwi PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6qwi ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/BGLA_PAEPO BGLA_PAEPO]] BglA is intracellular and cleaves cellobiose probably through inorganic phosphate mediated hydrolysis.	+	[https://www.uniprot.org/uniprot/BGLA_PAEPO BGLA_PAEPO] BglA is intracellular and cleaves cellobiose probably through inorganic phosphate mediated hydrolysis.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 6qwi" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6qwi" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Beta-glucosidase 3D structures\|Beta-glucosidase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Beta-glucosidase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Jimenez-Ortega, E]]	+	[[Category: Paenibacillus polymyxa]]
-	[[Category: Sanz-Aparicio, J]]	+	[[Category: Jimenez-Ortega E]]
-	~~[[Category: Carbohydrate]]~~	+	[[Category: Sanz-Aparicio J]]
-	~~[[Category: Carbohydrate metabolism]]~~	+
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Glycosidase]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Polisaccharide degradation~~]]	+

OCA at 06:02, 3 July 2019

2019-07-03T06:02:29Z

←Older revision		Revision as of 06:02, 3 July 2019
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-	'''Unreleased structure'''

-	~~The entry~~ 6qwi is ~~ON HOLD until Paper~~ Publication	+	==Structure of beta-glucosidase A from Paenibacillus polymyxa complexed with multivalent inhibitors.==
		+	<StructureSection load='6qwi' size='340' side='right'caption='[[6qwi]], [[Resolution\|resolution]] 2.85Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6qwi]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QWI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6QWI FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=JJW:(2~{S},3~{S},4~{R})-2-[[4-[4-(2-ethoxyethoxy)phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol'>JJW</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-glucosidase Beta-glucosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.21 3.2.1.21] </span></td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6qwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qwi OCA], [http://pdbe.org/6qwi PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6qwi RCSB], [http://www.ebi.ac.uk/pdbsum/6qwi PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6qwi ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/BGLA_PAEPO BGLA_PAEPO]] BglA is intracellular and cleaves cellobiose probably through inorganic phosphate mediated hydrolysis.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The synthesis of multivalent pyrrolidine iminosugars via CuAAC click reaction between different pyrrolidine-azide derivatives and tri- or hexavalent alkynyl scaffolds is reported. The new multimeric compounds, together with the monomeric reference, were evaluated as inhibitors against two homologous GH1 beta-glucosidases (BglA and BglB from Paenibacillus polymyxa). The multivalent inhibitors containing an aromatic moiety in the linker between the pyrrolidine and the scaffold inhibited the octameric BglA (microM range) but did not show affinity against the monomeric BglB, despite the similarity between the active site of both enzymes. A modest multivalent effect (rp/n=12) was detected for the hexavalent inhibitor 12. Structural analysis of the complexes between the monomeric and the trimeric iminosugar inhibitors (4 and 10) and BglA showed the insertion of the inhibitors at the active site of BglA, confirming a competitive mode of inhibition as indicated by enzyme kinetics. Additionally, structural comparison of the BglA/4 complex with the reported BglB/2F-glucose complex illustrates the key determinants responsible for the inhibitory effect and explains the reasons of the inhibition of BglA and the no inhibition of BglB. Potential inhibition of other beta-glucosidases with therapeutic relevance is discussed under the light of these observations.

-	~~Authors:~~ Jimenez-Ortega, E., Sanz-Aparicio, J.	+	Structural basis of the inhibition of GH1 beta-glucosidases by multivalent pyrrolidine iminosugars.,Martinez-Bailen M, Jimenez-Ortega E, Carmona AT, Robina I, Sanz-Aparicio J, Talens-Perales D, Polaina J, Matassini C, Cardona F, Moreno-Vargas AJ Bioorg Chem. 2019 Jun 4;89:103026. doi: 10.1016/j.bioorg.2019.103026. PMID:31226649<ref>PMID:31226649</ref>

-	~~Description: Structure~~ of ~~beta~~-glucosidase ~~A from Paenibacillus polymyxa complexed with multivalent inhibitors.~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 6qwi" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Beta-glucosidase]]
		+	[[Category: Large Structures]]
	[[Category: Jimenez-Ortega, E]]		[[Category: Jimenez-Ortega, E]]
	[[Category: Sanz-Aparicio, J]]		[[Category: Sanz-Aparicio, J]]
		+	[[Category: Carbohydrate]]
		+	[[Category: Carbohydrate metabolism]]
		+	[[Category: Complex]]
		+	[[Category: Glycosidase]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor]]
		+	[[Category: Polisaccharide degradation]]

OCA at 04:52, 3 April 2019

2019-04-03T04:52:02Z

←Older revision		Revision as of 04:52, 3 April 2019
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6qwi is ON HOLD	+	The entry 6qwi is ON HOLD until Paper Publication

	Authors: Jimenez-Ortega, E., Sanz-Aparicio, J.		Authors: Jimenez-Ortega, E., Sanz-Aparicio, J.

OCA: Protected "6qwi" [edit=sysop:move=sysop]

2019-03-13T10:28:18Z

Protected "6qwi" [edit=sysop:move=sysop]

←Older revision

Revision as of 10:28, 13 March 2019

OCA: New page: '''Unreleased structure''' The entry 6qwi is ON HOLD Authors: Jimenez-Ortega, E., Sanz-Aparicio, J. Description: Structure of beta-glucosidase A from Paenibacillus polymyxa complexed w...

2019-03-13T10:28:17Z

New page: '''Unreleased structure''' The entry 6qwi is ON HOLD Authors: Jimenez-Ortega, E., Sanz-Aparicio, J. Description: Structure of beta-glucosidase A from Paenibacillus polymyxa complexed w...

New page

'''Unreleased structure'''

The entry 6qwi is ON HOLD

Authors: Jimenez-Ortega, E., Sanz-Aparicio, J.

Description: Structure of beta-glucosidase A from Paenibacillus polymyxa complexed with multivalent inhibitors.
[[Category: Unreleased Structures]]
[[Category: Jimenez-Ortega, E]]
[[Category: Sanz-Aparicio, J]]